Geometry & MOs

Info

ID:	423322
PubChem CID:	135119310
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-77.16
Dipole, Da:	3.84
IP(EA), eV:	-9.0(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[1-(4-butylphenyl)pyrazol-4-yl]methyl]-2-oxopiperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(=O)N2CCCN(CC2)C(=O)CC3=CC=CC=C3OC

DOS

IR

Vibrations